5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Basic information
- CAS
1219-28-9- Standard SMILES
CC(=O)OCCC#Cc1ccc(-c2cccs2)s1- InChIKey
KHPAKGUGOFYJNA-UHFFFAOYSA-N- Molecular formula
- C14H12O2S2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.02787197
Overview
5-(4-acetoxybut-1-ynyl)-2,2'-bithiophene is a member of 2,2'-bithiophenes.
Names & identifiers
- Preferred name
- 5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
- IUPAC
- 4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl acetate
Names & synonyms
5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene1219-28-94-(5-(2-Thienyl)-2-thienyl)-3-butyn-1-ol acetate3-Butyn-1-ol, 4-(5-(2-thienyl)-2-thienyl)-, acetate4-(5-thiophen-2-ylthiophen-2-yl)but-3-ynyl acetate5-(4-acetoxy-1-butynyl)-2,2'-bithiophene5-(4-acetoxy-1-butynyl)-2,2'-bithienyl5-(4-acetoxybut-1-ynyl)-2-2'-bithiophene4-(2,2'-bithien-5-yl)but-3-yn-1-yl acetate4-([2,2'-bithiophen]-5-yl)but-3-yn-1-yl acetate3-Butyn-1-ol, 4-[5-(2-thienyl)-2-thienyl]-, acetateC04485
Show more names
SCHEMBL4738045CHEBI:17181DTXSID90153433LMFA120003555-(4-Acetoxyl-1-butynyl)-2,2'-dithiophene5-4-ACETOXYBUT-1-YNYL-2-2-BITHIOPHENE4-(2,2'-Bithiophen-5-yl)but-3-yn-1-yl acetateQ27102253
Database identifiers
- CAS
1219-28-9- PubChem CID
- 440356
- DTXSID
DTXSID90153433- ChEBI
CHEBI:17181- Nikkaji
- J410.277K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
2 records
Compound notes
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